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88289-58-1

88289-58-1 | 1H-Indole, 1-(phenylsulfonyl)-3-(2-thienyl)-

CAS No: 88289-58-1 Catalog No: AG0049T7 MDL No:

Product Description

Catalog Number:
AG0049T7
Chemical Name:
1H-Indole, 1-(phenylsulfonyl)-3-(2-thienyl)-
CAS Number:
88289-58-1
Molecular Formula:
C18H13NO2S2
Molecular Weight:
339.4313
IUPAC Name:
1-(benzenesulfonyl)-3-thiophen-2-ylindole
InChI:
InChI=1S/C18H13NO2S2/c20-23(21,14-7-2-1-3-8-14)19-13-16(18-11-6-12-22-18)15-9-4-5-10-17(15)19/h1-13H
InChI Key:
UMPCXUAHJQXENI-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1cc(c2c1cccc2)c1cccs1)c1ccccc1

Properties

Complexity:
510  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.039g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.427g/mol
Monoisotopic Mass:
339.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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